(2S,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-pentyloxolane-2-carbaldehyde

C16H32O3Si — CID 53350061

IUPAC(2S,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-pentyloxolane-2-carbaldehyde
SMILESCCCCC[C@H]1O[C@H](C=O)C[C@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H32O3Si/c1-7-8-9-10-14-15(11-13(12-17)18-14)19-20(5,6)16(2,3)4/h12-15H,7-11H2,1-6H3/t13-,14+,15+/m0/s1
InChIKeyKHQDITPXZMHLLJ-RRFJBIMHSA-N
MW300.52 g/mol
LogP4.31
Rot. Bonds7

About (2S,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-pentyloxolane-2-carbaldehyde

(2S,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-pentyloxolane-2-carbaldehyde (PubChem CID 53350061) has the molecular formula C16H32O3Si and a molecular weight of 300.52 g/mol. Its IUPAC name is (2S,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-pentyloxolane-2-carbaldehyde.

Molecular Properties

Compound Name(2S,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-pentyloxolane-2-carbaldehyde
PubChem CID53350061
Molecular FormulaC16H32O3Si
Molecular Weight300.52 g/mol
Exact Mass300.21
IUPAC Name(2S,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-pentyloxolane-2-carbaldehyde
SMILESCCCCC[C@H]1O[C@H](C=O)C[C@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H32O3Si/c1-7-8-9-10-14-15(11-13(12-17)18-14)19-20(5,6)16(2,3)4/h12-15H,7-11H2,1-6H3/t13-,14+,15+/m0/s1
InChIKeyKHQDITPXZMHLLJ-RRFJBIMHSA-N
XLogP4.31
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.52
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

(2R,5R)-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxytridecyl]oxolane-2-carbaldehyde
CID 10024691
(2R,5R)-5-[(2R,5R)-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxytridecyl]oxolan-2-yl]oxolane-2-carbaldehyde
CID 11496721
(2R,5R)-5-[(2R,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]oxolane-2-carbaldehyde
CID 11834009
5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxytridecyl]oxolane-2-carbaldehyde
CID 134864301
(2R,3S,5S)-3-[tert-butyl(dimethyl)silyl]oxy-5-[(1S,3R)-1,3,4-tris[[tert-butyl(dimethyl)silyl]oxy]butyl]oxolane-2-carbaldehyde
CID 162419872
(2R)-3-[(1S)-1-tri(propan-2-yl)silyloxyhexyl]oxirane-2-carbaldehyde
CID 175955552
(2R,3R)-3-[(1S)-1-tri(propan-2-yl)silyloxyhexyl]oxirane-2-carbaldehyde
CID 177269506
3-[1-Tri(propan-2-yl)silyloxyhexyl]oxirane-2-carbaldehyde
CID 177269512
(2R,5R)-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyheptyl]oxolane-2-carbaldehyde
CID 10087930
(2S,5R)-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyheptyl]oxolane-2-carbaldehyde
CID 10359177
(2R,4S,5S)-4-[tert-butyl(dimethyl)silyl]oxy-5-pentyloxolane-2-carbaldehyde
CID 10661985
(4S)-4-[tert-butyl(dimethyl)silyl]oxy-4-[(2S,5S)-5-[(1S)-1-[tert-butyl(dimethyl)silyl]oxytridecyl]oxolan-2-yl]butanal
CID 11250231

Frequently Asked Questions

What is the IUPAC name of (2S,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-pentyloxolane-2-carbaldehyde?
The IUPAC name of (2S,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-pentyloxolane-2-carbaldehyde (CID 53350061) is (2S,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-pentyloxolane-2-carbaldehyde.
What is the SMILES notation for (2S,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-pentyloxolane-2-carbaldehyde?
The canonical SMILES for (2S,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-pentyloxolane-2-carbaldehyde is CCCCC[C@H]1O[C@H](C=O)C[C@H]1O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (2S,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-pentyloxolane-2-carbaldehyde?
The InChIKey is KHQDITPXZMHLLJ-RRFJBIMHSA-N. The full InChI is InChI=1S/C16H32O3Si/c1-7-8-9-10-14-15(11-13(12-17)18-14)19-20(5,6)16(2,3)4/h12-15H,7-11H2,1-6H3/t13-,14+,15+/m0/s1.
What are the key properties of (2S,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-pentyloxolane-2-carbaldehyde?
(2S,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-pentyloxolane-2-carbaldehyde has a molecular weight of 300.52 g/mol, XLogP of 4.31, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-pentyloxolane-2-carbaldehyde is sourced from PubChem (CID 53350061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).